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114050-61-2 | Hexanal, 4-methyl-2-(1-methylethenyl)-5-oxo-
CAS No: 114050-61-2 Catalog No: AG000AFO MDL No:
Product Description
Catalog Number:
AG000AFO
Chemical Name:
Hexanal, 4-methyl-2-(1-methylethenyl)-5-oxo-
CAS Number:
114050-61-2
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
4-methyl-5-oxo-2-prop-1-en-2-ylhexanal
InChI:
InChI=1S/C10H16O2/c1-7(2)10(6-11)5-8(3)9(4)12/h6,8,10H,1,5H2,2-4H3
InChI Key:
QZSSGBRERFIGQN-UHFFFAOYSA-N
SMILES:
O=CC(C(=C)C)CC(C(=O)C)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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